Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0H6YF
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| Former ID |
DIB018557
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| Drug Name |
2-iodo-melatonin
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| Synonyms |
2-Iodomelatonin; 93515-00-5; n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide; CHEMBL289233; N-(2-(2-Iodo-5-methoxy-1H-indol-3-yl)ethyl)acetamide; acetamide,n-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]-; Acetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)-, (3beta)-; Acetamide, N-(2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl)-; SR-01000075935; 2-I-MLT; Melatonin,2-Iodo; ML2; Tocris-0737; Lopac-I-1899; AC1L3GZ8; AC1Q5P6Z; Lopac0_000610; SCHEMBL163451; GTPL1343; BDBM29611; CTK8F4316; DTXSID30239462; 2-iodomelatonin; IODOMELATONIN
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C13H15IN2O2
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| Canonical SMILES |
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
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| InChI |
1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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| InChIKey |
FJDDSMSDZHURBJ-UHFFFAOYSA-N
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| CAS Number |
CAS 93515-00-5
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| PubChem Compound ID | ||||
| PubChem Substance ID |
4501994, 10236748, 11111317, 11113672, 14925812, 17405172, 26751858, 29296844, 47276710, 47276711, 47870806, 49859761, 50139481, 50139486, 53777716, 57339130, 79348311, 81055040, 85087006, 85208909, 85788614, 91746217, 92304012, 99444661, 103205947, 103837751, 104398177, 117539624, 124749855, 124880415, 124880416, 125713001, 126726217, 127854796, 134222428, 134341338, 135072530, 135651396, 135697865, 140308831, 142167520, 160969243, 162022733, 163129227, 179293782, 196372197, 226526019, 241176901, 241181856, 241377456
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| ChEBI ID |
CHEBI:109558
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melatonin receptor type 1A (MTNR1A) | Target Info | Agonist | [2], [3] |
| Melatonin receptor type 1B (MTNR1B) | Target Info | Inhibitor | [2] | |
| Quinone reductase 2 (NQO2) | Target Info | Inhibitor | [4] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Circadian entrainment | ||||
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Small Ligand GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1343). | |||
| REF 2 | Synthesis of nitroindole derivatives with high affinity and selectivity for melatoninergic binding sites MT(3). J Med Chem. 2002 Apr 25;45(9):1853-9. | |||
| REF 3 | Characterization of a retinal melatonin receptor. J Pharmacol Exp Ther. 1985 Aug;234(2):395-401. | |||
| REF 4 | Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84. | |||
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